N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide

C18H26F3N3O — CID 70382376

IUPACN-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H26F3N3O/c1-2-22-17(25)24-12-10-23(11-13-24)9-4-3-6-15-7-5-8-16(14-15)18(19,20)21/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,22,25)
InChIKeyZGKSQLALFKSUQD-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide

N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide (PubChem CID 70382376) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
PubChem CID70382376
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC NameN-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H26F3N3O/c1-2-22-17(25)24-12-10-23(11-13-24)9-4-3-6-15-7-5-8-16(14-15)18(19,20)21/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,22,25)
InChIKeyZGKSQLALFKSUQD-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019476
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111268106
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
CID 71942240
N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8861904
2-[[ethylamino-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111363663
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide (CID 70382376) is N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide?
The InChIKey is ZGKSQLALFKSUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-2-22-17(25)24-12-10-23(11-13-24)9-4-3-6-15-7-5-8-16(14-15)18(19,20)21/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,22,25).
What are the key properties of N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide?
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide is sourced from PubChem (CID 70382376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).